Geometry & MOs

Info

ID:	358502
PubChem CID:	127296098
Reduced:	FO2N4C20H29 (1)
Stoich.:	AB2C4D20E29 (1)
Weight, g/mol:	367.237211
ΔH_f, kcal/mol:	-119.94
Dipole, Da:	4.42
IP(EA), eV:	-8.93(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-imidazol-1-ylphenyl)methyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)C(=O)NCCNC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations